Combined Static and Dynamic Density Functional Study of the Ti(IV) Constrained Geometry Catalyst (CpSiH2NH)TiR+. 1. Resting States and Chain Propagation

1996 ◽  
Vol 118 (51) ◽  
pp. 13021-13030 ◽  
Author(s):  
Tom K. Woo ◽  
Peter M. Margl ◽  
John C. W. Lohrenz ◽  
Peter E. Blöchl ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Chain Propagation ◽  
Functional Study ◽  
Dynamic Density ◽  
Density Functional Study ◽  
Constrained Geometry ◽  
Constrained Geometry Catalyst

Competition between Micro- and Macrophase Separations in a Binary Mixture of Block Copolymers. A Dynamic Density Functional Study

2002 ◽  
Vol 35 (19) ◽  
pp. 7473-7480 ◽  
Author(s):  
Hiroshi Morita ◽  
Toshihiro Kawakatsu ◽  
Masao Doi ◽  
Daisuke Yamaguchi ◽  
Mikihito Takenaka ◽  
...  
Keyword(s):  
Block Copolymers ◽  
Binary Mixture ◽  
Density Functional ◽  
Functional Study ◽  
Dynamic Density ◽  
Density Functional Study

Microphase Ordering Mechanisms in Linear ABC Triblock Copolymers. A Dynamic Density Functional Study

2005 ◽  
Vol 38 (22) ◽  
pp. 9324-9332 ◽  
Author(s):  
Jianfeng Xia ◽  
Mingzhu Sun ◽  
Feng Qiu ◽  
Hongdong Zhang ◽  
Yuliang Yang
Keyword(s):  
Density Functional ◽  
Triblock Copolymers ◽  
Functional Study ◽  
Dynamic Density ◽  
Density Functional Study ◽  
Abc Triblock Copolymers

scholarly journals Ethylene-styrene copolymerization with constrained geometry catalysts: A density functional study

2005 ◽  
Vol 122 (7) ◽  
pp. 074901 ◽  
Author(s):  
Javier Ramos ◽  
Antonio Muñoz-Escalona ◽  
Sonia Martínez ◽  
Javier Martínez-Salazar ◽  
Victor Cruz
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry
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